N1,N3-bis(3-aminocarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)benzene-1,3-dicarboxamide

Systemtic Name: N1,N3-bis(3-aminocarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)benzene-1,3-dicarboxamide Openeye Name: N1,N3-bis(3-carbamoyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)benzene-1,3-dicarboxamide CAS Name: N1,N3-bis(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)benzene-1,3-dicarboxamide IUPAC Name: 1-N,3-N-bis(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)benzene-1,3-dicarboxamide Traditional Name: N,N'-bis(3-carbamoyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)isophthalamide Formula: C26H26N4O4S2 MolecularWeight: 522.63904

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=C(S2)NC(=O)C3=CC(=CC=C3)C(=O)NC4=C(C5=C(S4)CCCC5)C(=O)N)C(=O)N

Isomeric SMILES

C1CCC2=C(C1)C(=C(S2)NC(=O)C3=CC(=CC=C3)C(=O)NC4=C(C5=C(S4)CCCC5)C(=O)N)C(=O)N

InChI

InChI=1S/C26H26N4O4S2/c27-21(31)19-15-8-1-3-10-17(15)35-25(19)29-23(33)13-6-5-7-14(12-13)24(34)30-26-20(22(28)32)16-9-2-4-11-18(16)36-26/h5-7,12H,1-4,8-11H2,(H2,27,31)(H2,28,32)(H,29,33)(H,30,34)